2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one

C23H26N4O — CID 135994656

IUPAC2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc(/C=C/c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1
InChIInChI=1S/C23H26N4O/c1-16(2)18-9-6-17(7-10-18)8-11-19-12-13-24-21-20(19)22(28)26-23(25-21)27-14-4-3-5-15-27/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,25,26,28)/b11-8+
InChIKeyVMGVDRWGHMQVKF-DHZHZOJOSA-N
MW374.49 g/mol
LogP4.60
Rot. Bonds4

About 2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one

2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135994656) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135994656
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc(/C=C/c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1
InChIInChI=1S/C23H26N4O/c1-16(2)18-9-6-17(7-10-18)8-11-19-12-13-24-21-20(19)22(28)26-23(25-21)27-14-4-3-5-15-27/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,25,26,28)/b11-8+
InChIKeyVMGVDRWGHMQVKF-DHZHZOJOSA-N
XLogP4.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135994656) is 2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one is CC(C)c1ccc(/C=C/c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1.
What is the InChIKey of 2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is VMGVDRWGHMQVKF-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(2)18-9-6-17(7-10-18)8-11-19-12-13-24-21-20(19)22(28)26-23(25-21)27-14-4-3-5-15-27/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,25,26,28)/b11-8+.
What are the key properties of 2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 374.49 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135994656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).